(1R,2R)-1-amino-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-2-ol

C11H13F4NO2 — CID 165345159

IUPAC(1R,2R)-1-amino-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-2-ol
SMILESC[C@@H](O)[C@H](N)c1ccccc1OC(F)(F)C(F)F
InChIInChI=1S/C11H13F4NO2/c1-6(17)9(16)7-4-2-3-5-8(7)18-11(14,15)10(12)13/h2-6,9-10,17H,16H2,1H3/t6-,9+/m1/s1
InChIKeyHCDHIWIZQORCFU-MUWHJKNJSA-N
MW267.22 g/mol
LogP2.30
Rot. Bonds5

About (1R,2R)-1-amino-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-2-ol

(1R,2R)-1-amino-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-2-ol (PubChem CID 165345159) has the molecular formula C11H13F4NO2 and a molecular weight of 267.22 g/mol. Its IUPAC name is (1R,2R)-1-amino-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-amino-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-2-ol
PubChem CID165345159
Molecular FormulaC11H13F4NO2
Molecular Weight267.22 g/mol
Exact Mass267.09
IUPAC Name(1R,2R)-1-amino-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-2-ol
SMILESC[C@@H](O)[C@H](N)c1ccccc1OC(F)(F)C(F)F
InChIInChI=1S/C11H13F4NO2/c1-6(17)9(16)7-4-2-3-5-8(7)18-11(14,15)10(12)13/h2-6,9-10,17H,16H2,1H3/t6-,9+/m1/s1
InChIKeyHCDHIWIZQORCFU-MUWHJKNJSA-N
XLogP2.30
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.22
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

(1S,2R)-1-amino-3-methyl-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pentan-2-ol;hydrochloride
CID 171269296
(1R,2S)-1-amino-5-methyl-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]hexan-2-ol;hydrochloride
CID 171263629
1-amino-1-(2-methoxyphenyl)propan-2-ol;hydrochloride
CID 162343351
(1R)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-amine;hydrochloride
CID 171208529
(1S,2S)-1-amino-1-[2-(trifluoromethyl)phenyl]propan-2-ol
CID 131376163
(1R)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-1-amine;hydrochloride
CID 171208533
(1S,2R)-1-amino-4-methyl-1-[2-(trifluoromethoxy)phenyl]pentan-2-ol;hydrochloride
CID 171161762
(1S,2R)-1-amino-1-[2-(difluoromethyl)phenyl]propan-2-ol
CID 130613465
2-methoxy-3-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine
CID 116719687
1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 55273473
(1S,2S)-1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 55271368
(R)-cyclobutyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine;hydrochloride
CID 171208551

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-amino-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-2-ol?
The IUPAC name of (1R,2R)-1-amino-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-2-ol (CID 165345159) is (1R,2R)-1-amino-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-2-ol.
What is the SMILES notation for (1R,2R)-1-amino-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-2-ol?
The canonical SMILES for (1R,2R)-1-amino-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-2-ol is C[C@@H](O)[C@H](N)c1ccccc1OC(F)(F)C(F)F.
What is the InChIKey of (1R,2R)-1-amino-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-2-ol?
The InChIKey is HCDHIWIZQORCFU-MUWHJKNJSA-N. The full InChI is InChI=1S/C11H13F4NO2/c1-6(17)9(16)7-4-2-3-5-8(7)18-11(14,15)10(12)13/h2-6,9-10,17H,16H2,1H3/t6-,9+/m1/s1.
What are the key properties of (1R,2R)-1-amino-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-2-ol?
(1R,2R)-1-amino-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-2-ol has a molecular weight of 267.22 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-amino-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-2-ol is sourced from PubChem (CID 165345159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).